3-thiophen-3-ylpiperazin-2-one

C8H10N2OS — CID 62352453

IUPAC3-thiophen-3-ylpiperazin-2-one
SMILESO=C1NCCNC1c1ccsc1
InChIInChI=1S/C8H10N2OS/c11-8-7(9-2-3-10-8)6-1-4-12-5-6/h1,4-5,7,9H,2-3H2,(H,10,11)
InChIKeyKDPQZUMPFYWRJX-UHFFFAOYSA-N
MW182.25 g/mol
LogP0.51
Rot. Bonds1

About 3-thiophen-3-ylpiperazin-2-one

3-thiophen-3-ylpiperazin-2-one (PubChem CID 62352453) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 3-thiophen-3-ylpiperazin-2-one.

Molecular Properties

Compound Name3-thiophen-3-ylpiperazin-2-one
PubChem CID62352453
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name3-thiophen-3-ylpiperazin-2-one
SMILESO=C1NCCNC1c1ccsc1
InChIInChI=1S/C8H10N2OS/c11-8-7(9-2-3-10-8)6-1-4-12-5-6/h1,4-5,7,9H,2-3H2,(H,10,11)
InChIKeyKDPQZUMPFYWRJX-UHFFFAOYSA-N
XLogP0.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-ylpiperazin-2-one?
The IUPAC name of 3-thiophen-3-ylpiperazin-2-one (CID 62352453) is 3-thiophen-3-ylpiperazin-2-one.
What is the SMILES notation for 3-thiophen-3-ylpiperazin-2-one?
The canonical SMILES for 3-thiophen-3-ylpiperazin-2-one is O=C1NCCNC1c1ccsc1.
What is the InChIKey of 3-thiophen-3-ylpiperazin-2-one?
The InChIKey is KDPQZUMPFYWRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c11-8-7(9-2-3-10-8)6-1-4-12-5-6/h1,4-5,7,9H,2-3H2,(H,10,11).
What are the key properties of 3-thiophen-3-ylpiperazin-2-one?
3-thiophen-3-ylpiperazin-2-one has a molecular weight of 182.25 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-ylpiperazin-2-one is sourced from PubChem (CID 62352453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).